N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C18H15N6OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C18H15N6OBr |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\C=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H15BrN6O/c19-16-10-8-14(9-11-16)5-4-12-20-21-17(26)13-25-23-18(22-24-25)15-6-2-1-3-7-15/h1-12H,13H2,(H,21,26) |
| InChIK | VRYSACPZDUOFNJ-UHFFFAOYSA-N |
| TotalMolweight | 411.262 |
| Molweight | 411.262 |
| MonoisotopicMass | 410.04907 |
| CLogP | 3.2564 |
| CLogS | -4.915 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 291.12 |
| Relative PSA | 0.26034 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -0.74024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
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